2-octan-3-ylquinoline-3-carboxylate dihydrochloride

Systemtic Name: 2-octan-3-ylquinoline-3-carboxylate dihydrochloride Openeye Name: 2-(1-ethylhexyl)quinoline-3-carboxylate dihydrochloride CAS Name: 2-octan-3-yl-3-quinolinecarboxylate dihydrochloride IUPAC Name: 2-octan-3-ylquinoline-3-carboxylate dihydrochloride Traditional Name: 2-(1-ethylhexyl)quinoline-3-carboxylate dihydrochloride Formula: C18H24Cl2NO2- MolecularWeight: 357.29466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=NC2=CC=CC=C2C=C1C(=O)[O-].Cl.Cl

Isomeric SMILES

CCCCCC(CC)C1=NC2=CC=CC=C2C=C1C(=O)[O-].Cl.Cl

InChI

InChI=1S/C18H23NO2.2ClH/c1-3-5-6-9-13(4-2)17-15(18(20)21)12-14-10-7-8-11-16(14)19-17;;/h7-8,10-13H,3-6,9H2,1-2H3,(H,20,21);2*1H/p-1